Methyl Cholate

CAS: 1448-36-8

Ref. TR-M294475

Product Information

• Name: Methyl Cholate
• Synonyms: Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3a,5ß,7a,12a)-, Cholic acid, methyl ester (6CI,7CI,8CI), Methyl 3a,7a,12a-trihydroxy-5ß-cholan-24-ate, Methyl 3a,7a,12a-trihydroxy-5ß-cholan-24-oate, Methyl 3a,7a,12a-trihydroxy-5ß-cholanoate, NSC 126794, Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3α,5β,7α,12α)-, Cholic acid methyl ester, Methyl (3Alpha,5Beta,12Alpha)-3,7,12-Trihydroxycholan-24-Oate, Methyl 3,7,12-Trihydroxycholan-24-Oate, Methyl 3α,7α,12α-trihydroxy-5β-cholan-24-ate, Methyl 3α,7α,12α-trihydroxy-5β-cholan-24-oate, Methyl 3α,7α,12α-trihydroxy-5β-cholanoate, Methyl 4-(3,7,12-trihydroxy-10,13-dimethylperhydrocyclopenta[a]phenanthren-17-yl)pen, methyl (3beta,5alpha,7beta,12alpha,17alpha,20S)-3,7,12-trihydroxycholan-24-oate, methyl 4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate, methyl 4-[(3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate, Methyl cholate

Description

Applications A bile acid derivative as anti-inflammatory and antitumor agent.
References Yasukawa, K., et al.: Chem. Pharm. Bull, 19, 573 (1996), Yasukawa, K., et al.: J. Pharm. Pharmacol., 52, 119 (2000), Iida, T., et al.: Lipids, 38, 281 (2003),

• Brand: TRC

Chemical properties

• Molecular weight: 422.60
• Formula: C₂₅H₄₂O₅
• Color/Form: Neat
• InChI: InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
• InChI key: InChIKey=DLYVTEULDNMQAR-VLNLAFDNSA-N
• SMILES: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O